Atomic disorder effects on half-metallicity of the full-Heusler alloys $Co2(Cr1-xFex)Al:$ A first-principles study TeX Export

@article{citeulike:6047604, abstract = {We investigate the atomic disorder effects on the half-metallicity of the full-Heusler alloy Co 2 (Cr 1- x Fe x )Al from first principles by using the Korringa-Kohn-Rostoker method with the coherent potential approximation. Our results show that disorder between Cr and Al does not significantly reduce the spin polarization of the parent alloy Co 2 CrAl; while disorder between Co and Cr makes a considerable reduction of the spin polarization. It is observed that the spin polarization of Co 2 (Cr 1- x Fe x )Al decreases with increasing Fe concentration x in both the ordered L 2 1 and the disordered B 2 structures; and that the effects of the disorder on the spin polarization is significant at low Fe concentrations. The results suggest that a highly spin-polarized ferromagnet with high Curie temperature will be obtained if a Co 2 (Cr 1- x Fe x )Al with the ordered L 2 1 structure can be fabricated at low Fe concentrations.}, author = {Miura, Yoshio and Nagao, Kazutaka and Shirai, Masafumi}, citeulike-article-id = {6047604}, citeulike-linkout-0 = {http://dx.doi.org/10.1103/PhysRevB.69.144413}, citeulike-linkout-1 = {http://link.aps.org/abstract/PRB/v69/i14/e144413}, citeulike-linkout-2 = {http://link.aps.org/pdf/PRB/v69/i14/e144413}, doi = {10.1103/PhysRevB.69.144413}, journal = {Physical Review B}, keywords = {cca, ccfa, cfa, heusler}, month = {Apr}, number = {14}, pages = {144413+}, posted-at = {2009-10-31 10:22:56}, priority = {2}, publisher = {American Physical Society}, title = {Atomic disorder effects on half-metallicity of the full-Heusler alloys \$Co2(Cr1-xFex)Al:\$ A first-principles study}, url = {http://dx.doi.org/10.1103/PhysRevB.69.144413}, volume = {69}, year = {2004} }

TY - JOUR ID - citeulike:6047604 L3 - citeulike-article-id:6047604 N2 - We investigate the atomic disorder effects on the half-metallicity of the full-Heusler alloy Co 2 (Cr 1- x Fe x )Al from first principles by using the Korringa-Kohn-Rostoker method with the coherent potential approximation. Our results show that disorder between Cr and Al does not significantly reduce the spin polarization of the parent alloy Co 2 CrAl; while disorder between Co and Cr makes a considerable reduction of the spin polarization. It is observed that the spin polarization of Co 2 (Cr 1- x Fe x )Al decreases with increasing Fe concentration x in both the ordered L 2 1 and the disordered B 2 structures; and that the effects of the disorder on the spin polarization is significant at low Fe concentrations. The results suggest that a highly spin-polarized ferromagnet with high Curie temperature will be obtained if a Co 2 (Cr 1- x Fe x )Al with the ordered L 2 1 structure can be fabricated at low Fe concentrations. IS - 14 JF - Physical Review B TI - Atomic disorder effects on half-metallicity of the full-Heusler alloys $Co2(Cr1-xFex)Al:$ A first-principles study PB - American Physical Society VL - 69 SP - 144413 KW - cca KW - ccfa KW - cfa KW - heusler AU - Miura, Yoshio AU - Nagao, Kazutaka AU - Shirai, Masafumi PY - 2004/Apr// UR - http://dx.doi.org/10.1103/PhysRevB.69.144413 ER -